SCHEMBL21408588

SCHEMBL21408588

CCCC(S)CCOC(=O)COC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
ALOX15 P16050 1/20 0.33
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
HTR1A P08908 1/20 0.33
CHRNB2 P17787 1/20 0.33
TBXA2R P21731 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRNA10 Q9GZZ6 1/20 0.33
CHRNA9 Q9UGM1 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5026819 0.87 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10CHRM5CHRM1
SCHEMBL5026818 0.87 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10CHRM5CHRM1
SCHEMBL112254 0.87 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10CHRM5CHRM1
Methane SCHEMBL28237192 0.85 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10CHRM5CHRM1
Acetic Acid SCHEMBL21408590 0.84 ALDH1A1 (0.47) ALDH1A1LMNAHSD17B10CHRM5CHRM1
Acetaldehyde SCHEMBL17106540 0.81 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10CHRM5CHRM1
SCHEMBL111564 0.80 DGKA (0.42) ALDH1A1LMNATSHRNAAADGKA
SCHEMBL12972011 0.77 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10CHRM5CHRM1
SCHEMBL3244027 0.77 ALDH1A1 (0.57) ALDH1A1LMNAHSD17B10CHRM5CHRM1
SCHEMBL3244031 0.77 ALDH1A1 (0.57) ALDH1A1LMNAHSD17B10CHRM5CHRM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230124937-A1 A Glutathione-Rich Yeast and Its Use for Preserving Wines UNIVERSITE DE BOURGOGNE (FR) 2023-04-20 US disclosed
EP-3931302-A1 A GLUTATHIONE-RICH YEAST AND ITS USE FOR PRESERVING WINES Danstar Ferment AG (CH) 2022-01-05 EP disclosed
US-20210106012-A1 Method for Increasing the Content Of Thiol Precursors in Plants DANSTAR FERMENT AG (CH) 2021-04-15 US disclosed
EP-3772963-A1 METHOD FOR INCREASING THE CONTENT OF THIOL PRECURSORS IN PLANTS Danstar Ferment AG (CH) 2021-02-17 EP disclosed
WO-2019185661-A1 METHOD FOR INCREASING THE CONTENT OF THIOL PRECURSORS IN PLANTS DANSTAR FERMENT AG (CH) 2019-10-03 WO disclosed